tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C33H39N5O6 — CID 139423405

About tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 139423405) has the molecular formula C33H39N5O6 and a molecular weight of 601.70 g/mol. Its IUPAC name is tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
• PubChem CID: 139423405
• Molecular Formula: C33H39N5O6
• Molecular Weight: 601.70 g/mol
• Exact Mass: 601.29
• IUPAC Name: tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
• SMILES: CCOC(=O)C[C@@H](c1ccc(OC)nc1)n1cc2cc(OCCc3ccc4c(n3)N(C(=O)OC(C)(C)C)CCC4)ccc2n1
• InChI: InChI=1S/C33H39N5O6/c1-6-42-30(39)19-28(23-10-14-29(41-5)34-20-23)38-21-24-18-26(12-13-27(24)36-38)43-17-15-25-11-9-22-8-7-16-37(31(22)35-25)32(40)44-33(2,3)4/h9-14,18,20-21,28H,6-8,15-17,19H2,1-5H3/t28-/m0/s1
• InChIKey: CXUPIDLBWYYUGX-NDEPHWFRSA-N
• XLogP: 5.69
• TPSA: 117.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.70
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?

The IUPAC name of tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 139423405) is tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?

The canonical SMILES for tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CCOC(=O)C[C@@H](c1ccc(OC)nc1)n1cc2cc(OCCc3ccc4c(n3)N(C(=O)OC(C)(C)C)CCC4)ccc2n1.

What is the InChIKey of tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?

The InChIKey is CXUPIDLBWYYUGX-NDEPHWFRSA-N. The full InChI is InChI=1S/C33H39N5O6/c1-6-42-30(39)19-28(23-10-14-29(41-5)34-20-23)38-21-24-18-26(12-13-27(24)36-38)43-17-15-25-11-9-22-8-7-16-37(31(22)35-25)32(40)44-33(2,3)4/h9-14,18,20-21,28H,6-8,15-17,19H2,1-5H3/t28-/m0/s1.

What are the key properties of tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?

tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 601.70 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-[2-[2-[(1S)-3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]indazol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 139423405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).